3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide

C13H17F3N2O3S — CID 9474697

IUPAC3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)7-12(19)18-10-3-5-11(6-4-10)22(20,21)17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyCUSQENKAGYBKQC-UHFFFAOYSA-N
MW338.35 g/mol
LogP2.51
Rot. Bonds6

About 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide

3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide (PubChem CID 9474697) has the molecular formula C13H17F3N2O3S and a molecular weight of 338.35 g/mol. Its IUPAC name is 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
PubChem CID9474697
Molecular FormulaC13H17F3N2O3S
Molecular Weight338.35 g/mol
Exact Mass338.09
IUPAC Name3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1
InChIInChI=1S/C13H17F3N2O3S/c1-9(2)7-12(19)18-10-3-5-11(6-4-10)22(20,21)17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyCUSQENKAGYBKQC-UHFFFAOYSA-N
XLogP2.51
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(methylamino)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide
CID 119692437
4-(2-methylpropyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]benzamide
CID 9474816
4-[[4-(3-methylbutanoylamino)phenyl]sulfamoyl]benzoic acid
CID 55542289
N-[4-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]phenyl]-3-methylbutanamide
CID 33033362
7-amino-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]heptanamide;hydrochloride
CID 119692432
3-phenoxy-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 26425338
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474869
2-amino-2-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]pentanamide
CID 119692461
N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24667058
3-(2-methoxyphenyl)-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]propanamide
CID 9474792
4-hydrazinyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43454892
4-hydroxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 43135522

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The IUPAC name of 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide (CID 9474697) is 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide.
What is the SMILES notation for 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The canonical SMILES for 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide is CC(C)CC(=O)Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1.
What is the InChIKey of 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
The InChIKey is CUSQENKAGYBKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O3S/c1-9(2)7-12(19)18-10-3-5-11(6-4-10)22(20,21)17-8-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide?
3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide has a molecular weight of 338.35 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(2,2,2-trifluoroethylsulfamoyl)phenyl]butanamide is sourced from PubChem (CID 9474697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).